SCHEMBL7530243

SCHEMBL7530243

CCCCN(C(=O)c1nc2ccccc2o1)C(=O)C1(NC(=O)c2ccccc2Cl)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HSF1 Q00613 5/20 0.39
POLB P06746 1/20 0.37
FAAH O00519 3/20 0.37
CES1 P23141 1/20 0.37
HPGD P15428 1/20 0.37
HCN4 Q9Y3Q4 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
XDH P47989 1/20 0.33
CHRNA7 P36544 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7528386 0.92 MAPT (0.41) HSF1POLBFAAHCES1CTSB
SCHEMBL7533002 0.85 FAAH (0.38) HSF1FAAHCES1CTSSCTSK
SCHEMBL7535944 0.84 MAPT (0.42) FAAHCES1CTSBCTSSCTSK
SCHEMBL7535316 0.83 CTSL (0.40) POLBFAAHCES1CTSBCTSS
SCHEMBL7536589 0.83 SMN1; SMN2 (0.41) LMNAHSF1POLBFAAHCES1
SCHEMBL7530295 0.83 FAAH (0.35) LMNAHSF1FAAHCES1CTSB
SCHEMBL7529863 0.82 TACR2 (0.38) HSF1FAAHCES1CTSBCTSS
SCHEMBL7531988 0.81 SLC6A5 (0.42) LMNAHPGD
SCHEMBL7532248 0.81 CTSL (0.47) LMNACTSBCTSSCTSK
SCHEMBL7531423 0.80 CTSL (0.39) POLBFAAHCES1CTSBCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed